Biochemical profiling, prediction of total lipid content and fatty acid profile in oleaginous yeasts by FTIR spectroscopy

Table 6 Prediction of summed monounsaturated fatty acids (MUFA) content in yeast biomass by FTIR spectroscopy, using partial least square regression (PLSR) analysis

Spectral region (cm⁻¹)	\({{\text{RMSE}}_{{{\text{CV}}}}} ^{{\text{a}}}\) (N = 125)	RMSE_Test (N = 56)	\({R^{2} {_{{{\text{CV}}}}}} ^{{\text{b}}}\) (N = 125)	R ² _Test (N = 56)	NFactors^c
3100–2800	4.99	4.34	0.79	0.79	11
3100–2800. 1800–700	8.85	15.42	0.37	0.29	10
3100–2800. 1800–1700	6.54	11.02	0.65	0.37	9
3100–2800. 1700–1715	5.30	4.14	0.76	0.77	12
3100–2800. 1800–1715	7.49	8.18	0.62	0.55	14
1800–1700	9.76	22.31	0.27	0.10	5
1800–700	9.62	15.11	0.27	0.02	5

N is the number of samples in the dataset
^aRMSE—root mean squared error of cross-validation in calibration (RMSE_CV) and test set (RMSE_Test)
^bR²—coefficient of determination for cross-validation in calibration (R²_CV) and test set (R²_Test)
^cNFactors—number of factors used in PLSR models

ISSN: 2731-3654